4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one

C15H19NO2 — CID 23935811

IUPAC4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one
SMILESCN1C(c2ccccc2)CC(=O)C2(O)CCCC12
InChIInChI=1S/C15H19NO2/c1-16-12(11-6-3-2-4-7-11)10-14(17)15(18)9-5-8-13(15)16/h2-4,6-7,12-13,18H,5,8-10H2,1H3
InChIKeyLOODMOLRNWKBLZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.92
Rot. Bonds1

About 4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one

4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one (PubChem CID 23935811) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one
PubChem CID23935811
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one
SMILESCN1C(c2ccccc2)CC(=O)C2(O)CCCC12
InChIInChI=1S/C15H19NO2/c1-16-12(11-6-3-2-4-7-11)10-14(17)15(18)9-5-8-13(15)16/h2-4,6-7,12-13,18H,5,8-10H2,1H3
InChIKeyLOODMOLRNWKBLZ-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one?
The IUPAC name of 4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one (CID 23935811) is 4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one.
What is the SMILES notation for 4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one?
The canonical SMILES for 4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one is CN1C(c2ccccc2)CC(=O)C2(O)CCCC12.
What is the InChIKey of 4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one?
The InChIKey is LOODMOLRNWKBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-12(11-6-3-2-4-7-11)10-14(17)15(18)9-5-8-13(15)16/h2-4,6-7,12-13,18H,5,8-10H2,1H3.
What are the key properties of 4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one?
4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one has a molecular weight of 245.32 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one is sourced from PubChem (CID 23935811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).